Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL7571787

O=C(O)C(O)C(O)C(=O)O.c1c[nH]cn1

nearest known ligand 0.56

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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 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
FKBP5 Q13451 1/20 0.56
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.37
BLM P54132 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 SCHEMBL5241549 1.00 ALDH1A1 (0.56) ALDH1A1FKBP5TSHRKDM4EBLM
Lactic Acid SCHEMBL1331765 0.85 ALDH1A1 (0.54) ALDH1A1FKBP5
Imidazole SCHEMBL1894404 0.84 ALDH1A1 (0.72) ALDH1A1FKBP5
Imidazole SCHEMBL3374317 0.84 ALDH1A1 (0.72) ALDH1A1FKBP5
Imidazole SCHEMBL384127 0.84
Imidazole SCHEMBL6336331 0.84 ALDH1A1 (0.72) ALDH1A1FKBP5
Imidazole SCHEMBL2158081 0.83 ALDH1A1 (0.56) ALDH1A1FKBP5
Oxalic Acid SCHEMBL1077269 0.81 ALDH1A1 (0.68) ALDH1A1FKBP5
Oxalic Acid SCHEMBL7766522 0.81 ALDH1A1 (0.68) ALDH1A1FKBP5
Imidazole SCHEMBL15152163 0.81 ALDH1A1 (0.68) ALDH1A1FKBP5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083938-A2 SCREENING METHODS FOR IDENTIFYING LIGANDS EMERALD BIOSTRUCTURES, INC. (US) 2002-10-24 WO disclosed
US-4069203-A ORGANIC DIBASIC ACID, IMIDAZOLE DERIVATIVE SHELL OIL COMPANY (US) 1978-01-17 US disclosed