Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL28201992

O=C(O)C(O)C(O)C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.48

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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
TSHR P16473 2/20 0.48
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
Bicarbonate SCHEMBL14917 0.82 CA1 (0.38) TSHRALDH1A1PKMCA12CA1
Bicarbonate SCHEMBL6150295 0.82 CA1 (0.38) TSHRALDH1A1PKMCA12CA1
Oxalic Acid SCHEMBL9728851 0.79 CA12 (0.37) ALDH1A1PKMCA12CA1CA9
SCHEMBL785147 0.79
SCHEMBL338264 0.79 KDM4E (0.34) ALDH1A1CA12CA1CA9
SCHEMBL1123 0.79
SCHEMBL1906466 0.77 MEN1 (0.34) CYP2C19ALDH1A1PKMCA12CA1
Acetic Acid SCHEMBL482738 0.77 FFAR3 (0.39) ALDH1A1PKMCA12CA1CA9
Carbamic Acid SCHEMBL699756 0.77 ACHE (0.39) TSHRALDH1A1PKMCA12CA1
SCHEMBL6742810 0.77 CA12 (0.35) ALDH1A1PKMCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107667133-A Vesicles formed from block copolymer, and novel block copolymer 应用仿生学有限公司 2018-02-06 CN disclosed