Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL7144922

CC(C)O.O=C(O)C(O)C(O)C(=O)O.[Ti]

nearest known ligand 0.71

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
TP53 P04637 1/20 0.56
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC7A5 Q01650 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL8944188 0.96 TSHR (0.77) TSHRTP53LMNAALDH1A1NFKB1
Tartaric Acid SCHEMBL30100371 0.96 TSHR (0.77) TSHRTP53LMNAALDH1A1NFKB1
Cadaverine Tartrate SCHEMBL8933473 0.89 TSHR (0.91) TSHRTP53LMNAALDH1A1NFKB1
Cadaverine Tartrate SCHEMBL17690 0.89 TSHR (0.91) TSHRTP53LMNAALDH1A1NFKB1
Cadaverine Tartrate SCHEMBL981016 0.86 TP53 (0.79) TSHRTP53LMNANFKB1CYP2C19
Cadaverine Tartrate SCHEMBL7209361 0.86 TSHR (0.71) TSHRTP53LMNANFKB1CYP2C19
Cadaverine Tartrate SCHEMBL4778934 0.85 TSHR (0.83) TSHRTP53LMNAALDH1A1NFKB1
Cadaverine Tartrate SCHEMBL8945831 0.85 TSHR (0.83) TSHRTP53LMNAALDH1A1NFKB1
Cadaverine Tartrate SCHEMBL11578818 0.85 TSHR (0.83) TSHRTP53LMNAALDH1A1NFKB1
Cadaverine Tartrate SCHEMBL10430043 0.85 TSHR (0.83) TSHRTP53LMNAALDH1A1NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521445-B1 Stereoselective ester hydrolysis of racemic trans-3-(4-methoxyphenyl) glycidic acid ester using a hydrolase enzyme; resolution; diltiazem production SEPRACOR, INC. 2003-02-18 US disclosed
EP-0657544-B1 Process for preparing optically active glycidate esters SEPRACOR INC (US) 1997-12-29 EP disclosed
EP-0440723-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS SEPRACOR INC (US) 1995-08-16 EP disclosed
EP-0657544-A1 Process for preparing optically active glycidate esters SEPRACOR, INC. (US) 1995-06-14 EP disclosed
US-5274300-A Patent withdrawn after O.G. published SEPRACOR, INC. (US) 1993-12-28 US disclosed
EP-0440723-A4 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS 1992-05-20 EP disclosed
EP-0440723-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS. SEPRACOR INC (US) 1991-08-14 EP disclosed
WO-1990004643-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE GLYCIDATE ESTERS SEPRACOR, INC. (US) 1990-05-03 WO disclosed