Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL6009350

O=C(O)C(O)C(O)C(=O)O.O=S(=O)(O)O.[AlH3].[KH].[KH].[NaH]

nearest known ligand 0.59

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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 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
SRC P12931 1/20 0.30

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 SCHEMBL28754057 0.94 TSHR (0.59) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL27547121 0.94 TSHR (0.67) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL27491776 0.91 TSHR (0.62) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL988008 0.91 TSHR (0.71) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL15924829 0.88 TSHR (0.59) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL27906745 0.88 TSHR (0.67) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL9345632 0.85 TSHR (0.62) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL9345627 0.85 TSHR (0.62) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL27906743 0.85 TSHR (0.62) TSHRCA5ACA5BTP53CYP2C9
Cadaverine Tartrate SCHEMBL15206509 0.84 TSHR (0.83) TSHRTP53CYP2C9PDE4ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166848-A1 Solid formulations RECKITT BENCKISER N. V. (NL) 2006-07-27 US disclosed
EP-1576079-A2 SOLID FORMULATIONS Reckitt Benckiser N.V. (NL) 2005-09-21 EP disclosed
WO-2004013267-A2 SOLID FORMULATIONS FOR CARPET CLEANING RECKITT BENCKISER N.V. (NL) 2004-02-12 WO disclosed